N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazolidine-4-carboxamide;dihydrochloride

C13H17Cl2N5OS — CID 119871296

IUPACN-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccn(Cc2ccncc2)n1)C1CSCN1
InChIInChI=1S/C13H15N5OS.2ClH/c19-13(11-8-20-9-15-11)16-12-3-6-18(17-12)7-10-1-4-14-5-2-10;;/h1-6,11,15H,7-9H2,(H,16,17,19);2*1H
InChIKeyADRJCAKCJDFBDD-UHFFFAOYSA-N
MW362.29 g/mol
LogP1.77
Rot. Bonds4

About N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazolidine-4-carboxamide;dihydrochloride

N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazolidine-4-carboxamide;dihydrochloride (PubChem CID 119871296) has the molecular formula C13H17Cl2N5OS and a molecular weight of 362.29 g/mol. Its IUPAC name is N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazolidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
PubChem CID119871296
Molecular FormulaC13H17Cl2N5OS
Molecular Weight362.29 g/mol
Exact Mass361.05
IUPAC NameN-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccn(Cc2ccncc2)n1)C1CSCN1
InChIInChI=1S/C13H15N5OS.2ClH/c19-13(11-8-20-9-15-11)16-12-3-6-18(17-12)7-10-1-4-14-5-2-10;;/h1-6,11,15H,7-9H2,(H,16,17,19);2*1H
InChIKeyADRJCAKCJDFBDD-UHFFFAOYSA-N
XLogP1.77
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpyrazol-3-yl)-2-(3-pyridin-4-ylpyrazol-1-yl)acetamide
CID 46985016
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CID 45884303
2-(carbamoylamino)-4-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 47022378
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide
CID 51078680
3,3-dimethyl-N-[2-oxo-2-[[1-(pyridin-3-ylmethyl)pyrazol-3-yl]amino]ethyl]butanamide
CID 51101895
2-pyrazol-1-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 53499449
3,3-dimethyl-N-[2-oxo-2-[[1-(pyridin-4-ylmethyl)pyrazol-3-yl]amino]ethyl]butanamide
CID 53555460
1-(2-pyridin-4-ylethyl)-N-(thian-4-yl)pyrazol-3-amine
CID 71918477
2-(3,5-dimethylpyrazol-1-yl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 75358519
2-(5-methylpyrazol-1-yl)-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
CID 75358540
N-tert-butyl-2-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]propanamide
CID 75378133
N-(2-ethyl-2H-1,2,3-triazol-4-yl)-2-[3-(4-pyridinyl)-1H-pyrazol-1-yl]acetamide
CID 29001695

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazolidine-4-carboxamide;dihydrochloride (CID 119871296) is N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazolidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazolidine-4-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccn(Cc2ccncc2)n1)C1CSCN1.
What is the InChIKey of N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The InChIKey is ADRJCAKCJDFBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS.2ClH/c19-13(11-8-20-9-15-11)16-12-3-6-18(17-12)7-10-1-4-14-5-2-10;;/h1-6,11,15H,7-9H2,(H,16,17,19);2*1H.
What are the key properties of N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazolidine-4-carboxamide;dihydrochloride has a molecular weight of 362.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazolidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119871296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).